General Information of the Compound
| Compound ID |
CP0378687
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| Compound Name |
6-[9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CC1)CCN(CC2)c1ccc(cn1)C#N
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| InChI |
InChI=1S/C26H30N4O3/c1-18-20(3-4-21-22(18)17-33-25(21)32)23(31)16-29-10-6-26(7-11-29)8-12-30(13-9-26)24-5-2-19(14-27)15-28-24/h2-5,15,23,31H,6-13,16-17H2,1H3/t23-/m0/s1
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| InChIKey |
OTJQQIAODOJEAU-QHCPKHFHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2